(phenylmethyl) (E,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-non-5-enoate

Systemtic Name: (phenylmethyl) (E,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-non-5-enoate Openeye Name: benzyl (E,8S)-8-(tert-butoxycarbonylamino)-7-oxo-non-5-enoate CAS Name: (E,8S)-8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-5-nonenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxonon-5-enoate Traditional Name: (E,8S)-8-(tert-butoxycarbonylamino)-7-keto-non-5-enoic acid benzyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=CCCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)/C=C/CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO5/c1-16(22-20(25)27-21(2,3)4)18(23)13-9-6-10-14-19(24)26-15-17-11-7-5-8-12-17/h5,7-9,11-13,16H,6,10,14-15H2,1-4H3,(H,22,25)/b13-9+/t16-/m0/s1